UCSF

ZINC21793951

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 11.26 -39.58 2 6 1 63 422.94 4
Mid Mid (pH 6-8) 4.24 11.09 -36.09 2 6 1 63 422.94 4
Mid Mid (pH 6-8) 4.24 10.82 -11.5 1 6 0 61 421.932 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )